MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001014
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001014
RECORD_TITLE: PARA-IODOBENZOIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA-IODOBENZOIC ACID ETHYL ESTER
CH$NAME: ETHYL PARA-IODOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9IO2
CH$EXACT_MASS: 275.96472
CH$SMILES: CCOC(=O)c(c1)ccc(I)c1
CH$IUPAC: InChI=1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY
YCBJOQUNPLTBGG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0049311
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fai-5190000000-b7b7daf8876009dafbf8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 6.09 61
28 1 10
29 10.34 103
38 1.72 17
39 1.72 17
45 4.02 40
50 27.52 275
51 4.02 40
65 7.41 74
73 1.72 17
74 10.63 106
75 11.38 114
76 45.29 453
77 5.46 55
103 3.45 35
104 10.57 106
105 2.3 23
121 2.93 29
127 1.95 20
128 1.61 16
149 5.63 56
203 22.07 221
204 1.67 17
231 99.99 999
232 11.49 115
248 38.79 388
249 2.82 28
276 40.4 404
277 3.97 40
//
system version 2.2.6-SNAPSHOT